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Updated: Mar 21, 2026

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Spin State Manipulation: A Key to High-Efficiency Electrocatalytic Oxygen Evolution Reaction.

Sha Gong1, Junyuan Yang1, Gong Chen1

  • 1College of Chemistry, Chemical Engineering and Resource Utilization, Center for Innovative Research in Synthetic Chemistry and Resource Utilization, Northeast Forestry University, Harbin 150040, P. R. China.

ACS Applied Materials & Interfaces
|March 19, 2026
PubMed
Summary

Manipulating the spin state of electrocatalyst active centers is key to improving the oxygen evolution reaction (OER). This review explores strategies and proposes combining DFT with AI for advanced OER catalyst design.

Keywords:
OERelectrocatalysiselectronic structuremagnetic fieldspin

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Area of Science:

  • Electrochemistry
  • Materials Science
  • Catalysis

Background:

  • The oxygen evolution reaction (OER) is crucial for electrochemical energy conversion but is hindered by slow kinetics.
  • Developing efficient and stable OER electrocatalysts is vital for addressing energy shortages.

Purpose of the Study:

  • This review focuses on the significance of regulating the spin state of electrocatalyst active centers.
  • It explores recent strategies, mechanisms, and characterization techniques for spin state manipulation.

Main Methods:

  • Discussion of spin state regulation strategies in electrocatalysis.
  • Exploration of characterization methods for spin state analysis.
  • Review of OER catalyst performance influenced by spin state modulation.

Main Results:

  • Spin state adjustment directly impacts active center-ligand bond strength and intermediate adsorption.
  • Optimizing spin states can significantly enhance OER catalyst activity and stability.
  • Combining Density Functional Theory (DFT) with Artificial Intelligence (AI) is proposed for precise spin state control.

Conclusions:

  • Spin state modulation is a promising avenue for designing high-performance OER electrocatalysts.
  • Further research combining computational methods like DFT and AI is necessary for advancing OER catalyst development.
  • This approach can accelerate the development of sustainable energy technologies.